| SpectraBase Compound ID | BR7NX2Boihc |
|---|---|
| InChI | InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 |
| InChIKey | WBRPQQSADOCKCH-UHFFFAOYSA-N |
| Mol Weight | 139.22 g/mol |
| Molecular Formula | C7H9NS |
| Exact Mass | 139.04557 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ILhKnLwW2sv |
|---|---|
| Name | o-(Methylthio)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.045570468 u |
| Formula | C7H9NS |
| InChI | InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 |
| InChIKey | WBRPQQSADOCKCH-UHFFFAOYSA-N |
| Molecular Weight | 139.216 g/mol |
| SMILES | NC1=C(C=CC=C1)SC |
| Spectrum/Structure Validation Score (Raman) | 0.965997 |